SCHEMBL19505097

SCHEMBL19505097

CCN1c2nc(Oc3cccc(CN(C)C)c3)n(Cc3ccc(Cl)cc3)c2C(=O)N(CCCO)C1O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 5/20 0.46
▸ TRPC4 Q9UBN4 2/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ TRPC1 P48995 1/20 0.43
▸ P2RX3 P56373 11/20 0.39
▸ TP53 P04637 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ PDE5A O76074 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20432442 0.92 TRPC5 (0.48) TRPC5TRPC4KCNH2TRPC1P2RX3
SCHEMBL19505394 0.89 TRPC5 (0.48) TRPC5TRPC4KCNH2TRPC1P2RX3
SCHEMBL19505516 0.88 TRPC5 (0.47) TRPC5TRPC4KCNH2TRPC1P2RX3
SCHEMBL19375680 0.88 TRPC4 (0.46) TRPC5TRPC4KCNH2TRPC1P2RX3
SCHEMBL21499695 0.86 TRPC5 (0.59) TRPC5TRPC4KCNH2TRPC1P2RX3
SCHEMBL19505627 0.86 TRPC5 (0.46) TRPC5TRPC4KCNH2TRPC1P2RX3
SCHEMBL19374906 0.85 TRPC5 (0.49) TRPC5TRPC4KCNH2TRPC1P2RX3
SCHEMBL19375611 0.83 TRPC4 (0.41) TRPC5TRPC4KCNH2TRPC1P2RX3
SCHEMBL22619613 0.82 TRPC5 (0.57) TRPC5TRPC4KCNH2TRPC1P2RX3
SCHEMBL21316302 0.82 TRPC4 (0.41) TRPC5TRPC4KCNH2TRPC1P2RX3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969736-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, INC. (US) 2018-05-15 — — US disclosed
US-20170305910-A1 Substituted Xanthines and Methods of Use Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-10-26 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170305910-A1 Substituted Xanthines and Methods of Use Thereof TRPC5, TRPC7, TRPC4 TRPC5 1/4885TRPC4 3/4885KCNH2 70/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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